Basic information
- CAS
7085-54-3- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1S- InChIKey
NYTIUBZWEKOZRY-HBPOCXIASA-N- Molecular formula
- C9H12N2O5S
- Average molar mass
- 260.27 g/mol
- Monoisotopic mass
- 260.04669266
Names & identifiers
- Preferred name
- 5-Mercapto-2'-deoxyuridine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dione
Names & synonyms
Uridine, 2'-deoxy-5-mercapto-5-Mercapto-2'-deoxyuridine7085-54-34IM5ND7S7JNSC-238130RefChem:1030051-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dioneNSC238130NSC 238130UNII-4IM5ND7S7J2'-Deoxy-5-mercaptouridineSCHEMBL8169628
Show more names
CHEMBL3228323Uridine, 2'-deoxy-5,6-dihydro-5-thioxo-2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-mercapto-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-sulfanyl-pyrimidine-2,4-dione
Database identifiers
- CAS
7085-54-3- PubChem CID
- 99529
- ChEMBL
CHEMBL3228323- UNII
- 4IM5ND7S7J
- Nikkaji
- J93.351A
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
Related reactions
0 records
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Compound notes
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